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2RH1
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BU of 2rh1 by Molmil
High resolution crystal structure of human B2-adrenergic G protein-coupled receptor.
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Cherezov, V, Rosenbaum, D.M, Hanson, M.A, Rasmussen, S.G.F, Thian, F.S, Kobilka, T.S, Choi, H.J, Kuhn, P, Weis, W.I, Kobilka, B.K, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2007-10-05
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.
Science, 318, 2007
2VDF
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BU of 2vdf by Molmil
Structure of the OpcA adhesion from Neisseria meningitidis determined by crystallization from the cubic mesophase
Descriptor: N-OCTANE, OUTER MEMBRANE PROTEIN, SULFATE ION
Authors:Cherezov, V, Liu, W, Derrick, J.P, Luan, B, Aksimentiev, A, Katritch, V, Caffrey, M.
Deposit date:2007-10-05
Release date:2007-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin.
Proteins, 71, 2008
3BYR
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BU of 3byr by Molmil
Mode of Action of a Putative Zinc Transporter CzrB (Zn form)
Descriptor: CzrB protein, ZINC ION
Authors:Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M.
Deposit date:2008-01-16
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus
Structure, 16, 2008
3BYP
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BU of 3byp by Molmil
Mode of Action of a Putative Zinc Transporter CzrB
Descriptor: CzrB protein, SULFATE ION
Authors:Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M.
Deposit date:2008-01-16
Release date:2008-09-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus
Structure, 16, 2008
7JNI
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BU of 7jni by Molmil
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ...
Authors:Cherezov, V, Shaye, H, Han, G.W.
Deposit date:2020-08-04
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
2FKW
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BU of 2fkw by Molmil
Structure of LH2 from Rps. acidophila crystallized in lipidic mesophases
Descriptor: BACTERIOCHLOROPHYLL A, LAURYL DIMETHYLAMINE-N-OXIDE, Light-harvesting protein B-800/850, ...
Authors:Papiz, M.Z, Cherezov, V, Clogston, J, Caffrey, M.
Deposit date:2006-01-05
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Room to Move: Crystallizing Membrane Proteins in Swollen Lipidic Mesophases
J.Mol.Biol., 357, 2006
2GUF
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BU of 2guf by Molmil
In meso crystal structure of the cobalamin transporter, BtuB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, Vitamin B12 transporter btuB, ...
Authors:Caffrey, M, Cherezov, V, Yamashita, E, Cramer, W.A.
Deposit date:2006-04-29
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In Meso Structure of the Cobalamin Transporter, BtuB, at 1.95 A Resolution.
J.Mol.Biol., 364, 2006
5JTB
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BU of 5jtb by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V.
Deposit date:2016-05-09
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
4EA3
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BU of 4ea3 by Molmil
Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ...
Authors:Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2012-03-22
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
Authors:Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
Descriptor: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
Authors:Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
7M8W
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BU of 7m8w by Molmil
XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2
Descriptor: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ...
Authors:Shiriaeva, A, Han, G.W, Cherezov, V.
Deposit date:2021-03-30
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4JKV
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BU of 4jkv by Molmil
Structure of the human smoothened 7TM receptor in complex with an antitumor agent
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-03-11
Release date:2013-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
4L6R
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BU of 4l6r by Molmil
Structure of the class B human glucagon G protein coupled receptor
Descriptor: DI(HYDROXYETHYL)ETHER, Soluble cytochrome b562 and Glucagon receptor chimera
Authors:Siu, F.Y, He, M, de Graaf, C, Han, G.W, Yang, D, Zhang, Z, Zhou, C, Xu, Q, Wacker, D, Joseph, J.S, Liu, W, Lau, J, Cherezov, V, Katritch, V, Wang, M.W, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-06-12
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the human glucagon class B G-protein-coupled receptor.
Nature, 499, 2013
7SK2
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BU of 7sk2 by Molmil
Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation
Descriptor: Sodium- and chloride-dependent GABA transporter 1, Tiagabine
Authors:Gati, C, Motiwala, Z, Aduri, N.G, Shaye, H, Han, G.W, Cherezov, V.
Deposit date:2021-10-19
Release date:2022-06-08
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural basis of GABA reuptake inhibition.
Nature, 606, 2022
8CU6
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BU of 8cu6 by Molmil
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8DU3
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BU of 8du3 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ...
Authors:Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V.
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
6UO8
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BU of 6uo8 by Molmil
Human metabotropic GABA(B) receptor bound to agonist SKF97541 and positive allosteric modulator GS39783
Descriptor: (R)-(3-aminopropyl)methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2019-10-14
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
6UO9
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BU of 6uo9 by Molmil
Human metabotropic GABA(B) receptor bound to agonist SKF97541 in its intermediate state 2
Descriptor: (R)-(3-aminopropyl)methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2019-10-14
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
6UOA
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BU of 6uoa by Molmil
Human metabotropic GABA(B) receptor in its intermediate state 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2019-10-14
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
6VJM
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BU of 6vjm by Molmil
Human metabotropic GABA(B) receptor in its apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2020-01-16
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020

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